7-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)amino]heptanoic acid

Systemtic Name: 7-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)amino]heptanoic acid Openeye Name: 7-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)amino]heptanoic acid CAS Name: 7-[(2,5-dimethyl-4-nitro-3-pyrazolyl)amino]heptanoic acid IUPAC Name: 7-[(2,5-dimethyl-4-nitropyrazol-3-yl)amino]heptanoic acid Traditional Name: 7-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)amino]enanthic acid Formula: C12H20N4O4 MolecularWeight: 284.3116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])NCCCCCCC(=O)O)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])NCCCCCCC(=O)O)C

InChI

InChI=1S/C12H20N4O4/c1-9-11(16(19)20)12(15(2)14-9)13-8-6-4-3-5-7-10(17)18/h13H,3-8H2,1-2H3,(H,17,18)